N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide

C14H12Cl2N2O2 — CID 7289797

IUPACN-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccoc1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-8(11-4-3-10(15)7-13(11)16)17-18-14(19)12-5-6-20-9(12)2/h3-7H,1-2H3,(H,18,19)/b17-8+
InChIKeyLVXNUNKQEMZCSN-CAOOACKPSA-N
MW311.17 g/mol
LogP4.05
Rot. Bonds3

About N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide

N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 7289797) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide
PubChem CID7289797
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC NameN-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccoc1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-8(11-4-3-10(15)7-13(11)16)17-18-14(19)12-5-6-20-9(12)2/h3-7H,1-2H3,(H,18,19)/b17-8+
InChIKeyLVXNUNKQEMZCSN-CAOOACKPSA-N
XLogP4.05
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 137031048
N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide
CID 3626855
2,4-dichloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 135688205
N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 965552
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 3473890
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide
CID 7955460
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499
2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9472501
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845
2,4-dichloro-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6167444
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5402683

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide (CID 7289797) is N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide is C/C(=N\NC(=O)c1ccoc1C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is LVXNUNKQEMZCSN-CAOOACKPSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-8(11-4-3-10(15)7-13(11)16)17-18-14(19)12-5-6-20-9(12)2/h3-7H,1-2H3,(H,18,19)/b17-8+.
What are the key properties of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide?
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 7289797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).